ethyl 5-tert-butyl-2-[(6-dodecoxy-1H-benzimidazol-2-yl)carbamoyl]benzoate

Systemtic Name: ethyl 5-tert-butyl-2-[(6-dodecoxy-1H-benzimidazol-2-yl)carbamoyl]benzoate Openeye Name: ethyl 5-tert-butyl-2-[(6-dodecoxy-1H-benzimidazol-2-yl)carbamoyl]benzoate CAS Name: 5-tert-butyl-2-[[(6-dodecoxy-1H-benzimidazol-2-yl)amino]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-2-[(6-dodecoxy-1H-benzimidazol-2-yl)carbamoyl]benzoate Traditional Name: 5-tert-butyl-2-[(6-lauryloxy-1H-benzimidazol-2-yl)carbamoyl]benzoic acid ethyl ester Formula: C33H47N3O4 MolecularWeight: 549.74398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)C3=C(C=C(C=C3)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)C3=C(C=C(C=C3)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C33H47N3O4/c1-6-8-9-10-11-12-13-14-15-16-21-40-25-18-20-28-29(23-25)35-32(34-28)36-30(37)26-19-17-24(33(3,4)5)22-27(26)31(38)39-7-2/h17-20,22-23H,6-16,21H2,1-5H3,(H2,34,35,36,37)